MassBank Record: KO000329



 Butanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000329
RECORD_TITLE: Butanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B006

CH$NAME: Butanoate CH$NAME: Butyrate CH$NAME: Butanoic acid CH$NAME: Butyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H8O2 CH$EXACT_MASS: 88.05243 CH$SMILES: CCCC(O)=O CH$IUPAC: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) CH$LINK: CAS 107-92-6 CH$LINK: CHEBI 30772 CH$LINK: CHEMPDB BUA CH$LINK: KEGG C00246 CH$LINK: NIKKAJI J4.068A CH$LINK: PUBCHEM SID:3545
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 87 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-e30b3c6bd6218b9b49e1 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 42.900 44554.5 4 44.000 44554.5 4 58.300 14851.5 1 69.200 24752.5 2 87.300 11915853.5 999 //